2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide

C16H14N2O2S — CID 16589972

IUPAC2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H14N2O2S/c19-15(17-8-7-12-5-3-9-21-12)13-10-11-4-1-2-6-14(11)18-16(13)20/h1-6,9-10H,7-8H2,(H,17,19)(H,18,20)
InChIKeyGLDTTWQTMLGLRI-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.56
Rot. Bonds4

About 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide

2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide (PubChem CID 16589972) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
PubChem CID16589972
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C16H14N2O2S/c19-15(17-8-7-12-5-3-9-21-12)13-10-11-4-1-2-6-14(11)18-16(13)20/h1-6,9-10H,7-8H2,(H,17,19)(H,18,20)
InChIKeyGLDTTWQTMLGLRI-UHFFFAOYSA-N
XLogP2.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-[(E)-hex-4-enyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731587
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17492319
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
5-fluoro-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 46555986
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
2-methyl-N-(2-thiophen-2-ylethyl)-1H-indole-3-carboxamide
CID 32986974
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 86287174

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide (CID 16589972) is 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide is O=C(NCCc1cccs1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is GLDTTWQTMLGLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(17-8-7-12-5-3-9-21-12)13-10-11-4-1-2-6-14(11)18-16(13)20/h1-6,9-10H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide?
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 16589972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).